UCSF

ZINC39899041

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.99 8.71 -10.44 2 6 0 78 463.896 5
Mid Mid (pH 6-8) 4.99 9.48 -45.92 1 6 -1 81 462.888 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )